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CudaComputeNonbondedKernel Member List

This is the complete list of members for CudaComputeNonbondedKernel, including all inherited members.

bindExclusions(int numExclusions, unsigned int *exclusion_bits)CudaComputeNonbondedKernel
computeAtomPad(const int numAtoms, const int tilesize=WARPSIZE)CudaComputeNonbondedKernelinlinestatic
computeNumTiles(const int numAtoms, const int tilesize=WARPSIZE)CudaComputeNonbondedKernelinlinestatic
CudaComputeNonbondedKernel(int deviceID, CudaNonbondedTables &cudaNonbondedTables, bool doStreaming)CudaComputeNonbondedKernel
getPatchReadyQueue()CudaComputeNonbondedKernel
getVirialEnergy(VirialEnergy *h_virialEnergy, cudaStream_t stream)CudaComputeNonbondedKernel
nonbondedForce(CudaTileListKernel &tlKernel, const int atomStorageSize, const bool atomsChanged, const bool doMinimize, const bool doPairlist, const bool doEnergy, const bool doVirial, const bool doSlow, const bool doAlch, const bool doAlchVdwForceSwitching, const bool doFEP, const bool doTI, const bool doTable, const float3 lata, const float3 latb, const float3 latc, const float4 *h_xyzq, const float cutoff2, const CudaNBConstants nbConstants, float4 *d_forces, float4 *d_forcesSlow, float4 *h_forces, float4 *h_forcesSlow, AlchData *fepFlags, bool lambdaWindowUpdated, char *part, bool CUDASOAintegratorOn, bool useDeviceMigration, cudaStream_t stream)CudaComputeNonbondedKernel
reallocate_forceSOA(int atomStorageSize)CudaComputeNonbondedKernel
reduceVirialEnergy(CudaTileListKernel &tlKernel, const int atomStorageSize, const bool doEnergy, const bool doVirial, const bool doSlow, const bool doGBIS, float4 *d_forces, float4 *d_forcesSlow, VirialEnergy *d_virialEnergy, cudaStream_t stream)CudaComputeNonbondedKernel
setExclusionsByAtom(int2 *h_data, const int num_atoms)CudaComputeNonbondedKernel
updateVdwTypesExcl(const int atomStorageSize, const int *h_vdwTypes, const int2 *h_exclIndexMaxDiff, const int *h_atomIndex, cudaStream_t stream)CudaComputeNonbondedKernel
updateVdwTypesExclOnGPU(CudaTileListKernel &tlKernel, const int numPatches, const int atomStorageSize, const bool alchOn, CudaLocalRecord *localRecords, const int *d_vdwTypes, const int *d_id, const int *d_sortOrder, const int *d_partition, cudaStream_t stream)CudaComputeNonbondedKernel
~CudaComputeNonbondedKernel()CudaComputeNonbondedKernel